SCHEMBL4104448

SCHEMBL4104448

CCOc1ccc(NC(=O)Nc2cccc(F)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
NPC1 O15118 8/20 0.70
RAB9A P51151 8/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
PAX8 Q06710 2/20 0.70
MITF O75030 1/20 0.70
MAPT P10636 12/20 0.67
MEN1 O00255 10/20 0.67
KMT2A Q03164 10/20 0.67
PKM P14618 2/20 0.60
POLB P06746 2/20 0.60
CDK8 P49336 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MTOR P42345 1/20 0.58
LMNA P02545 2/20 0.57
GBA1 P04062 1/20 0.57
TP53 P04637 1/20 0.57
GAA P10253 2/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4104631 0.90 KMT2A (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2PAX8
SCHEMBL4106089 0.89 MEN1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2PAX8
SCHEMBL4107028 0.87 SMN1; SMN2 (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2PAX8
SCHEMBL4111978 0.87 NPC1 (0.75) NPC1RAB9ASMN1; SMN2PAX8MITF
SCHEMBL4113061 0.85 MAPT (0.73) ALDH1A1NPC1RAB9ASMN1; SMN2PAX8
SCHEMBL405087 0.85 NPC1 (0.69) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4121731 0.84 MAPT (0.72) NPC1RAB9ASMN1; SMN2PAX8MITF
SCHEMBL4104467 0.84 MAPT (0.76) ALDH1A1NPC1RAB9ASMN1; SMN2PAX8
SCHEMBL4112399 0.83 MEN1 (0.76) ALDH1A1NPC1RAB9ASMN1; SMN2PAX8
SCHEMBL10576308 0.83 MAPT (0.86) ALDH1A1NPC1RAB9ASMN1; SMN2PAX8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US claimed
EP-1804785-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-11 EP claimed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 WO claimed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists CNR1, CNR2, OPRL1 ALDH1A1 994/4885NPC1 927/4885RAB9A 815/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.